4-{4-(hydroxymethyl)-8-[(thiophen-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-8-[(thiophen-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-8-[(thiophen-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5041 |
| Compound Name: | 4-{4-(hydroxymethyl)-8-[(thiophen-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 463.52 |
| Molecular Formula: | C23 H24 F3 N3 O2 S |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(Cc1cccs1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8144 |
| logD: | 2.8144 |
| logSw: | -3.1736 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.963 |
| InChI Key: | CNEAEBVZKRCNIP-QGZVFWFLSA-N |